111 citations
- SINTEFNO8 papers
- Norwegian University of Science and TechnologyNO5 papers
- CEA GrenobleFR2 papers
- Centre for Electrochemical TechnologiesES2 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR2 papers
- Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)DE2 papers
- École Polytechnique Fédérale de LausanneCH2 papers
- Forschungszentrum JülichDE2 papers
- Helmholtz-Institute UlmDE2 papers
- Institut de Ciència de Materials de BarcelonaES2 papers
- Lawrence Berkeley National LaboratoryUS2 papers
- Swiss Federal Laboratories for Materials Science and TechnologyCH2 papers
Showing 2021 · cond-mat.mtrl-sciShow all
3 papers · 2 filters
cond-mat.mtrl-sci2021★ 8 cited
Atomic-scale 3D imaging of individual dopant atoms in a complex oxide
K. A. Hunnestad, C. Hatzoglou, Z. M. Khalid +6
A small percentage of dopant atoms can completely change the physical properties of the host material. For example, chemical doping controls the electronic transport behavior of se…
cond-mat.mtrl-sci2021
Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level
Kristian Berland, Ole Martin Løvvik, Rasmus Tranås
A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimatio…
cond-mat.mtrl-sci2021★ 42 cited
Common workflows for computing material properties using different quantum engines
Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx +23
The prediction of material properties through electronic-structure simulations based on density-functional theory has become routinely common, thanks, in part, to the steady increa…